#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g4a h GLN 2 N 0.00 0.52 -0.53 5.31 1.08 -2.01 -3.07 115.11 116.42 2g4a h GLN 2 Ca 0.00 -0.34 -0.06 0.00 -1.45 0.00 0.00 58.65 56.80 2g4a h GLN 2 Cb 0.00 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 2g4a h GLN 2 CO 0.00 0.95 0.08 -0.07 -0.95 0.00 0.00 178.83 178.84 2g4a h LEU 3 N 0.40 0.85 -1.02 1.46 4.07 -1.97 -2.93 115.31 116.17 2g4a h LEU 3 Ca 0.00 -0.26 0.01 0.00 0.08 0.00 0.00 57.88 57.71 2g4a h LEU 3 Cb 1.11 -0.23 -0.05 0.00 1.08 0.00 0.00 40.66 42.58 2g4a h LEU 3 CO 0.11 0.90 0.64 0.50 -1.08 0.00 0.00 178.44 179.50 2g4a h LYS 4 N 0.76 1.29 -0.86 1.13 1.63 -2.00 -2.11 116.57 116.42 2g4a h LYS 4 Ca 0.16 -0.08 0.02 0.00 -0.85 0.00 0.00 60.65 59.90 2g4a h LYS 4 Cb 0.42 -0.29 -0.05 0.00 -0.60 0.00 0.00 32.23 31.71 2g4a h LYS 4 CO 0.01 0.86 0.57 0.45 -3.45 0.00 0.00 179.45 177.89 2g4a h HIS 5 N 1.33 1.05 -0.31 1.91 3.86 -1.42 -2.05 115.15 119.52 2g4a h HIS 5 Ca 0.36 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.45 2g4a h HIS 5 Cb -0.14 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 27.97 2g4a h HIS 5 CO 0.00 0.64 -0.37 0.00 0.86 0.00 0.00 177.93 179.06 2g4a h ASN 7 N 0.60 0.87 -0.57 0.00 2.35 -0.81 -1.14 115.58 116.89 2g4a h ASN 7 Ca 0.06 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2g4a h ASN 7 Cb 0.91 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.08 2g4a h ASN 7 CO 0.08 0.55 0.31 0.58 -1.65 0.00 0.00 177.43 177.30 2g4a h VAL 8 N 1.01 1.19 -0.36 2.81 2.07 -1.41 -2.46 116.25 119.09 2g4a h VAL 8 Ca 0.39 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 2g4a h VAL 8 Cb 0.18 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2g4a h VAL 8 CO -0.18 0.20 -0.01 0.40 0.02 0.00 0.00 177.57 178.00 2g4a h ILE 9 N 0.76 1.21 -0.84 4.57 2.04 -1.34 -2.75 117.51 121.16 2g4a h ILE 9 Ca 0.20 -0.86 0.03 0.00 1.00 0.00 0.00 64.86 65.23 2g4a h ILE 9 Cb 0.05 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 2g4a h ILE 9 CO -0.03 0.29 0.54 0.25 0.00 0.00 0.00 178.15 179.21 2g4a h LEU 10 N 0.55 0.92 -1.02 1.44 7.12 -0.76 -2.02 115.31 121.53 2g4a h LEU 10 Ca 0.11 -0.01 0.03 0.00 0.13 0.00 0.00 57.88 58.14 2g4a h LEU 10 Cb 0.37 -0.21 -0.06 0.00 -0.53 0.00 0.00 40.66 40.23 2g4a h LEU 10 CO 0.01 0.64 0.66 0.11 -0.13 0.00 0.00 178.44 179.73 2g4a h LYS 11 N 1.08 1.26 -0.20 1.25 1.57 -1.26 -1.75 116.57 118.51 2g4a h LYS 11 Ca 0.33 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.93 2g4a h LYS 11 Cb -0.03 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 31.98 2g4a h LYS 11 CO -0.10 0.83 -0.30 1.49 -0.57 0.00 0.00 179.45 180.80 2g4a h GLU 12 N 1.29 0.39 -0.59 3.15 4.57 -1.37 0.48 114.58 122.50 2g4a h GLU 12 Ca 0.39 -0.16 -0.10 0.00 -1.18 0.00 0.00 59.36 58.31 2g4a h GLU 12 Cb -0.04 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 2g4a h GLU 12 CO -0.11 0.66 -0.03 -0.07 -1.18 0.00 0.00 179.01 178.28 2g4a h LEU 13 N 0.34 1.05 -0.85 1.64 3.38 -0.71 -3.06 115.31 117.10 2g4a h LEU 13 Ca 0.05 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2g4a h LEU 13 Cb 0.71 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2g4a h LEU 13 CO 0.05 1.11 -0.40 0.18 0.09 0.00 0.00 178.44 179.47 2g4a n LEU 14 N -4.18 1.73 0.00 1.67 4.77 -0.87 -3.30 117.00 116.82 2g4a n LEU 14 Ca 0.02 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 2g4a n LEU 14 Cb 0.36 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2g4a n LEU 14 CO 0.45 0.32 0.35 -0.24 -1.33 0.00 0.00 177.39 176.94 2g4a n SER 15 N -0.20 0.00 0.00 -1.43 2.88 0.17 -4.85 113.62 110.19 2g4a n SER 15 Ca 0.10 0.70 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 2g4a n SER 15 Cb 0.43 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 2g4a n SER 15 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2g4a n LYS 16 N -1.10 0.00 -0.28 -1.46 2.85 -1.26 -4.86 118.16 112.05 2g4a n LYS 16 Ca 0.00 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.28 2g4a n LYS 16 Cb 0.00 0.00 0.15 0.00 -0.65 0.00 0.00 35.03 34.53 2g4a n LYS 16 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2g4a h LYS 17 N 0.00 0.77 -0.44 -1.58 3.64 -1.91 -1.77 116.57 115.27 2g4a h LYS 17 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2g4a h LYS 17 Cb 0.00 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 2g4a h LYS 17 CO 0.00 0.51 0.00 0.72 -2.27 0.00 0.00 179.45 178.41 2g4a n HIS 18 N -4.74 1.16 0.11 1.91 8.25 -1.24 -4.48 115.22 116.18 2g4a n HIS 18 Ca 0.13 -0.69 -0.04 0.00 -0.26 0.00 0.00 57.72 56.85 2g4a n HIS 18 Cb 0.25 -0.25 0.11 0.00 1.12 0.00 0.00 29.99 31.21 2g4a n HIS 18 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2g4a h ALA 19 N 2.87 0.83 -0.85 -1.41 0.00 -1.31 -1.96 119.26 117.43 2g4a h ALA 19 Ca 0.00 -0.60 0.06 0.00 0.00 0.00 0.00 54.91 54.37 2g4a h ALA 19 Cb 1.36 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 2g4a h ALA 19 CO 0.21 0.81 0.55 0.00 0.00 0.00 0.00 179.25 180.82 2g4a h ALA 20 N 1.23 1.55 -0.01 0.00 0.00 -1.79 -0.81 119.26 119.43 2g4a h ALA 20 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2g4a h ALA 20 Cb 1.20 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2g4a h ALA 20 CO 0.10 0.33 -0.35 0.66 0.00 0.00 0.00 179.25 179.99 2g4a n TYR 21 N -4.48 0.00 -0.02 0.00 4.01 -1.19 -4.36 117.16 111.12 2g4a n TYR 21 Ca 0.12 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.76 2g4a n TYR 21 Cb 0.18 -0.04 -0.08 0.00 -0.31 0.00 0.00 39.34 39.09 2g4a n TYR 21 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2g4a h ALA 22 N 3.90 -0.08 -0.91 -0.72 0.00 -0.35 -3.20 119.26 117.91 2g4a h ALA 22 Ca 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2g4a h ALA 22 Cb 0.68 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2g4a h ALA 22 CO 0.00 -0.12 0.56 0.11 0.00 0.00 0.00 179.25 179.80 2g4a h TRP 23 N -0.91 1.18 -0.37 0.00 5.08 -1.69 0.49 115.95 119.73 2g4a h TRP 23 Ca -0.01 0.01 -0.07 0.00 1.08 0.00 0.00 58.89 59.90 2g4a h TRP 23 Cb 0.61 -0.39 -0.02 0.00 -3.00 0.00 0.00 29.16 26.36 2g4a h TRP 23 CO 0.15 0.77 -0.05 -1.00 -1.28 0.00 0.00 178.44 177.02 2g4a h PRO 24 N 1.24 0.61 -0.06 0.12 0.13 -1.76 -2.64 132.00 129.64 2g4a h PRO 24 Ca 0.33 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2g4a h PRO 24 Cb -0.08 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 30.98 2g4a h PRO 24 CO -0.06 0.67 0.00 1.19 -0.23 0.00 0.00 178.00 179.56 2g4a n PHE 25 N -4.22 0.04 -0.03 1.56 3.01 -1.04 -4.48 117.46 112.30 2g4a n PHE 25 Ca 0.01 -0.02 -0.05 0.00 1.01 0.00 0.00 57.45 58.40 2g4a n PHE 25 Cb 0.30 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.72 2g4a n PHE 25 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 2g4a h TYR 26 N 4.24 -0.04 -3.94 1.38 5.03 0.36 -2.40 116.97 121.60 2g4a h TYR 26 Ca 0.00 -0.00 -0.52 0.00 2.58 0.00 0.00 58.73 60.79 2g4a h TYR 26 Cb 0.90 0.01 0.08 0.00 1.55 0.00 0.00 36.73 39.27 2g4a h TYR 26 CO 0.02 0.29 0.59 0.15 -1.32 0.00 0.00 178.16 177.89 2g4a s LYS 27 N -1.99 4.01 0.47 1.82 3.01 -1.21 -3.12 119.74 122.73 2g4a s LYS 27 Ca -0.07 2.10 -0.08 0.00 -1.01 0.00 0.00 55.97 56.91 2g4a s LYS 27 Cb -0.01 -2.77 0.11 0.00 -1.01 0.00 0.00 37.83 34.16 2g4a s LYS 27 CO 0.25 -0.44 0.56 -0.35 0.51 0.00 0.00 175.35 175.88 2g4a n PRO 28 N 0.17 -1.01 -3.83 -1.68 -0.04 -1.26 -4.86 135.00 122.49 2g4a n PRO 28 Ca 0.04 -0.88 -0.30 0.00 -0.04 0.00 0.00 63.50 62.32 2g4a n PRO 28 Cb 0.44 -0.65 -0.15 0.00 -0.04 0.00 0.00 33.50 33.10 2g4a n PRO 28 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2g4a s VAL 29 N -2.17 1.18 -1.14 0.52 1.01 -1.26 -5.06 120.40 113.47 2g4a s VAL 29 Ca 0.33 -1.27 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 2g4a s VAL 29 Cb -0.02 -1.69 0.10 0.00 0.00 0.00 0.00 36.38 34.78 2g4a s VAL 29 CO 0.24 -0.38 1.47 -1.81 0.00 0.00 0.00 175.10 174.62 2g4a s ASP 30 N 1.51 6.78 0.46 3.32 1.11 -1.26 -4.82 116.67 123.77 2g4a s ASP 30 Ca 0.02 -2.27 0.13 0.00 0.18 0.00 0.00 52.55 50.61 2g4a s ASP 30 Cb -0.18 -2.50 1.08 0.00 1.07 0.00 0.00 42.92 42.39 2g4a s ASP 30 CO -0.13 -1.12 2.07 0.00 1.18 0.00 0.00 175.17 177.17 2g4a h ALA 31 N 8.25 1.93 -0.24 5.23 0.00 -1.97 -0.44 119.26 132.01 2g4a h ALA 31 Ca 0.30 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 2g4a h ALA 31 Cb 0.93 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2g4a h ALA 31 CO 1.33 0.03 -0.20 0.77 0.00 0.00 0.00 179.25 181.18 2g4a h SER 32 N 0.29 0.42 0.00 0.00 0.02 -1.88 0.36 113.55 112.77 2g4a h SER 32 Ca 0.13 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2g4a h SER 32 Cb 0.15 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 2g4a h SER 32 CO -0.03 0.64 -0.15 0.00 -1.14 0.00 0.00 176.83 176.15 2g4a h ALA 33 N 1.40 0.03 -0.72 3.77 0.00 -1.68 -3.37 119.26 118.70 2g4a h ALA 33 Ca 0.07 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 2g4a h ALA 33 Cb 0.57 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2g4a h ALA 33 CO 0.04 0.09 0.22 -0.07 0.00 0.00 0.00 179.25 179.53 2g4a h LEU 34 N -1.00 1.05 0.00 0.00 3.38 -1.17 -3.47 115.31 114.09 2g4a h LEU 34 Ca -0.03 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2g4a h LEU 34 Cb 0.73 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2g4a h LEU 34 CO -0.02 0.98 0.00 0.61 0.09 0.00 0.00 178.44 180.10 2g4a n GLY 35 N -0.74 1.60 3.17 0.83 0.00 0.11 -5.06 105.19 105.11 2g4a n GLY 35 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2g4a n GLY 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2g4a n LEU 36 N 0.00 5.10 -0.11 0.99 4.77 -0.54 -4.86 117.00 122.35 2g4a n LEU 36 Ca 0.00 -5.12 -0.01 0.00 -0.03 0.00 0.00 56.01 50.85 2g4a n LEU 36 Cb 0.00 -1.28 0.23 0.00 -2.33 0.00 0.00 43.42 40.05 2g4a n LEU 36 CO 0.00 1.51 1.02 -0.74 -1.33 0.00 0.00 177.39 177.85 2g4a h HIS 37 N 6.12 0.79 -0.56 -1.77 2.76 -1.98 -2.34 115.15 118.18 2g4a h HIS 37 Ca 0.18 -0.05 0.02 0.00 -2.20 0.00 0.00 60.37 58.32 2g4a h HIS 37 Cb 0.80 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 29.49 2g4a h HIS 37 CO 0.77 0.64 0.37 0.38 -1.30 0.00 0.00 177.93 178.80 2g4a h ASP 38 N 0.76 0.59 -0.92 3.26 2.03 -1.98 -1.60 116.42 118.56 2g4a h ASP 38 Ca 0.18 -0.01 0.19 0.00 -0.73 0.00 0.00 57.03 56.66 2g4a h ASP 38 Cb 0.21 -0.14 -0.07 0.00 -0.83 0.00 0.00 39.33 38.50 2g4a h ASP 38 CO -0.01 0.42 0.60 0.22 -1.03 0.00 0.00 179.24 179.43 2g4a h TYR 39 N 0.69 0.68 0.00 4.15 3.20 -1.83 0.01 116.97 123.87 2g4a h TYR 39 Ca 0.22 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.02 2g4a h TYR 39 Cb 0.03 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 2g4a h TYR 39 CO -0.00 0.19 -1.33 1.58 -1.64 0.00 0.00 178.16 176.95 2g4a n HIS 40 N -4.56 0.85 0.17 -3.82 -0.00 -0.68 -3.24 115.22 103.94 2g4a n HIS 40 Ca 0.20 0.27 -0.13 0.00 0.46 0.00 0.00 57.72 58.51 2g4a n HIS 40 Cb 0.64 -0.98 -0.08 0.00 -0.12 0.00 0.00 29.99 29.46 2g4a n HIS 40 CO 0.00 0.00 0.00 0.22 0.46 0.00 0.00 176.34 177.02 2g4a h ASP 41 N 0.00 -0.39 0.24 0.26 3.58 -0.19 -0.60 116.42 119.32 2g4a h ASP 41 Ca -0.09 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.18 2g4a h ASP 41 Cb 1.30 0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.46 2g4a h ASP 41 CO 0.02 -0.00 -0.11 0.40 -2.88 0.00 0.00 179.24 176.66 2g4a h ILE 42 N -0.84 0.54 0.08 2.25 5.03 -1.50 -3.40 117.51 119.67 2g4a h ILE 42 Ca -0.05 -0.94 -0.00 0.00 -0.12 0.00 0.00 64.86 63.75 2g4a h ILE 42 Cb 0.53 0.91 0.00 0.00 -3.03 0.00 0.00 36.82 35.23 2g4a h ILE 42 CO 0.08 0.14 -0.04 0.40 -0.68 0.00 0.00 178.15 178.05 2g4a h ILE 43 N -0.95 0.00 0.00 -0.67 2.04 -1.71 -3.47 117.51 112.75 2g4a h ILE 43 Ca -0.03 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2g4a h ILE 43 Cb 0.47 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 2g4a h ILE 43 CO 0.05 0.00 0.00 1.17 0.00 0.00 0.00 178.15 179.37 2g4a n LYS 44 N -2.54 0.00 -2.79 2.37 4.81 -0.23 -4.76 118.16 115.02 2g4a n LYS 44 Ca -0.01 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.17 2g4a n LYS 44 Cb 0.04 -0.37 -0.02 0.00 0.02 0.00 0.00 35.03 34.69 2g4a n LYS 44 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2g4a n HIS 45 N -0.42 3.49 -2.34 5.64 8.25 -1.26 -5.00 115.22 123.58 2g4a n HIS 45 Ca 0.00 -3.65 -0.40 0.00 -0.26 0.00 0.00 57.72 53.41 2g4a n HIS 45 Cb 0.00 -0.35 -0.03 0.00 1.12 0.00 0.00 29.99 30.73 2g4a n HIS 45 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2g4a s PRO 46 N -3.42 4.40 0.27 -0.41 0.04 -1.26 -4.90 135.00 129.72 2g4a s PRO 46 Ca 0.47 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.42 2g4a s PRO 46 Cb 0.33 -3.00 -0.03 0.00 0.04 0.00 0.00 34.50 31.84 2g4a s PRO 46 CO -0.15 -0.04 0.27 -1.64 0.04 0.00 0.00 177.00 175.48 2g4a s MET 47 N -1.79 1.52 0.07 4.56 -1.94 -1.26 -5.07 119.30 115.38 2g4a s MET 47 Ca 0.49 -1.74 -0.05 0.00 -1.71 0.00 0.00 55.69 52.69 2g4a s MET 47 Cb -0.33 0.33 -0.02 0.00 2.01 0.00 0.00 34.83 36.82 2g4a s MET 47 CO 0.43 -0.56 0.08 0.16 -0.01 0.00 0.00 175.02 175.12 2g4a s ASP 48 N -3.23 0.29 0.39 3.03 -4.77 -1.26 -4.89 116.67 106.24 2g4a s ASP 48 Ca 0.37 -0.80 0.09 0.00 -3.30 0.00 0.00 52.55 48.91 2g4a s ASP 48 Cb 0.04 0.27 0.86 0.00 -1.09 0.00 0.00 42.92 42.99 2g4a s ASP 48 CO 0.18 -0.66 1.96 -0.07 0.70 0.00 0.00 175.17 177.28 2g4a h LEU 49 N 2.99 0.55 -0.98 2.11 4.07 -1.51 -1.44 115.31 121.09 2g4a h LEU 49 Ca -0.34 0.01 0.03 0.00 0.08 0.00 0.00 57.88 57.66 2g4a h LEU 49 Cb 1.17 -0.11 -0.06 0.00 1.08 0.00 0.00 40.66 42.75 2g4a h LEU 49 CO 0.60 0.34 0.64 0.28 -1.08 0.00 0.00 178.44 179.23 2g4a h SER 50 N 0.62 1.08 0.02 -0.43 0.02 -1.80 -1.29 113.55 111.76 2g4a h SER 50 Ca 0.31 -0.01 -0.22 0.00 -0.84 0.00 0.00 61.79 61.03 2g4a h SER 50 Cb 0.41 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.71 2g4a h SER 50 CO -0.10 0.74 -0.81 0.74 -1.14 0.00 0.00 176.83 176.26 2g4a h THR 51 N 1.25 1.31 -0.87 -2.27 2.02 -1.61 -2.88 112.91 109.87 2g4a h THR 51 Ca 0.39 -2.09 0.03 0.00 0.77 0.00 0.00 66.41 65.51 2g4a h THR 51 Cb -0.01 2.10 -0.05 0.00 -1.74 0.00 0.00 68.15 68.44 2g4a h THR 51 CO -0.12 0.65 0.56 0.58 0.37 0.00 0.00 175.52 177.56 2g4a h VAL 52 N 0.43 1.14 -0.35 3.16 2.07 -0.81 -1.31 116.25 120.58 2g4a h VAL 52 Ca -0.06 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.03 2g4a h VAL 52 Cb 1.43 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2g4a h VAL 52 CO 0.16 0.20 -0.00 0.50 0.02 0.00 0.00 177.57 178.45 2g4a h LYS 53 N 1.10 0.62 -0.77 1.57 3.64 -1.26 -2.79 116.57 118.67 2g4a h LYS 53 Ca 0.35 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 2g4a h LYS 53 Cb 0.00 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 2g4a h LYS 53 CO -0.12 0.74 0.51 -0.09 -2.27 0.00 0.00 179.45 178.22 2g4a h ARG 54 N 0.43 0.98 -0.33 1.90 2.43 -1.22 -1.45 114.38 117.12 2g4a h ARG 54 Ca 0.10 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2g4a h ARG 54 Cb 0.46 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2g4a h ARG 54 CO 0.02 0.65 0.12 0.87 -1.51 0.00 0.00 179.97 180.12 2g4a h LYS 55 N 1.01 0.50 -0.27 0.20 1.57 -1.08 -1.02 116.57 117.47 2g4a h LYS 55 Ca 0.29 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.91 2g4a h LYS 55 Cb -0.05 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 2g4a h LYS 55 CO -0.07 0.52 -0.12 0.52 -0.57 0.00 0.00 179.45 179.72 2g4a h MET 56 N 0.39 0.46 0.00 3.15 2.86 -1.20 0.51 114.93 121.11 2g4a h MET 56 Ca 0.11 -0.13 -0.10 0.00 -2.06 0.00 0.00 59.70 57.52 2g4a h MET 56 Cb 0.21 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 2g4a h MET 56 CO -0.01 0.59 -0.50 0.93 1.06 0.00 0.00 176.91 178.98 2g4a h GLU 57 N 0.43 0.00 -0.03 1.72 4.39 -0.99 -2.92 114.58 117.18 2g4a h GLU 57 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 2g4a h GLU 57 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2g4a h GLU 57 CO 0.03 0.50 -0.08 0.09 -1.16 0.00 0.00 179.01 178.39 2g4a n ASN 58 N -3.72 2.82 -2.92 1.42 5.03 -0.41 -4.97 115.26 112.50 2g4a n ASN 58 Ca -0.01 -1.91 -0.16 0.00 0.87 0.00 0.00 54.58 53.37 2g4a n ASN 58 Cb 0.55 0.08 0.07 0.00 -1.02 0.00 0.00 39.78 39.45 2g4a n ASN 58 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2g4a n ARG 59 N 1.11 -5.68 0.10 3.52 0.63 0.52 -4.94 116.66 111.93 2g4a n ARG 59 Ca 0.13 0.66 -0.16 0.00 -0.92 0.00 0.00 57.85 57.56 2g4a n ARG 59 Cb 0.58 -5.16 -0.13 0.00 0.45 0.00 0.00 32.46 28.20 2g4a n ARG 59 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2g4a h ASP 60 N -1.77 0.48 0.41 6.15 3.58 -0.41 -3.37 116.42 121.50 2g4a h ASP 60 Ca -0.46 -0.49 -0.02 0.00 0.42 0.00 0.00 57.03 56.48 2g4a h ASP 60 Cb 1.28 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2g4a h ASP 60 CO 0.41 1.37 -0.20 1.88 -2.88 0.00 0.00 179.24 179.83 2g4a h TYR 61 N 0.10 -0.51 -0.63 0.28 0.05 -1.92 -3.47 116.97 110.87 2g4a h TYR 61 Ca -0.14 -0.01 -0.27 0.00 0.05 0.00 0.00 58.73 58.36 2g4a h TYR 61 Cb 1.93 0.17 -0.11 0.00 1.01 0.00 0.00 36.73 39.74 2g4a h TYR 61 CO 0.07 -0.30 -0.24 0.54 -1.05 0.00 0.00 178.16 177.18 2g4a n ARG 62 N -5.15 -1.38 -3.62 4.88 1.74 -1.26 -4.85 116.66 107.03 2g4a n ARG 62 Ca -0.07 0.95 -0.06 0.00 -0.77 0.00 0.00 57.85 57.90 2g4a n ARG 62 Cb 0.23 -5.22 -0.05 0.00 -1.02 0.00 0.00 32.46 26.40 2g4a n ARG 62 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2g4a s ASP 63 N -2.59 -0.18 0.17 0.55 2.15 -1.26 -5.04 116.67 110.47 2g4a s ASP 63 Ca 0.00 0.22 -0.05 0.00 0.43 0.00 0.00 52.55 53.15 2g4a s ASP 63 Cb 0.00 0.17 0.05 0.00 -0.30 0.00 0.00 42.92 42.85 2g4a s ASP 63 CO 0.00 -0.16 1.47 0.00 -0.17 0.00 0.00 175.17 176.31 2g4a h ALA 64 N 2.41 0.63 -0.98 3.66 0.00 -1.92 -3.13 119.26 119.93 2g4a h ALA 64 Ca -0.14 -0.52 0.05 0.00 0.00 0.00 0.00 54.91 54.30 2g4a h ALA 64 Cb 1.18 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 2g4a h ALA 64 CO 0.25 0.69 0.63 1.96 0.00 0.00 0.00 179.25 182.78 2g4a h GLN 65 N 0.48 1.14 -0.72 0.00 7.50 -1.97 -0.72 115.11 120.83 2g4a h GLN 65 Ca 0.01 -0.07 -0.05 0.00 0.50 0.00 0.00 58.65 59.04 2g4a h GLN 65 Cb 1.13 -0.26 -0.03 0.00 0.05 0.00 0.00 27.48 28.37 2g4a h GLN 65 CO 0.11 0.76 0.26 0.93 -1.50 0.00 0.00 178.83 179.39 2g4a h GLU 66 N 1.18 1.10 0.11 1.46 3.07 -1.87 -1.80 114.58 117.83 2g4a h GLU 66 Ca 0.41 -0.22 -0.01 0.00 -0.50 0.00 0.00 59.36 59.05 2g4a h GLU 66 Cb 0.10 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 27.84 2g4a h GLU 66 CO -0.15 0.92 -0.05 0.35 -1.40 0.00 0.00 179.01 178.68 2g4a h PHE 67 N 1.05 -0.14 -0.76 4.33 3.57 -1.29 -1.37 116.94 122.33 2g4a h PHE 67 Ca 0.24 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.83 2g4a h PHE 67 Cb 0.26 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.97 2g4a h PHE 67 CO 0.02 0.06 0.41 0.00 -2.23 0.00 0.00 178.31 176.57 2g4a h ALA 68 N 0.54 1.07 -0.41 2.41 0.00 -1.06 0.24 119.26 122.05 2g4a h ALA 68 Ca -0.02 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2g4a h ALA 68 Cb 0.27 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2g4a h ALA 68 CO 0.03 0.02 0.13 0.00 0.00 0.00 0.00 179.25 179.42 2g4a h ALA 69 N 1.44 0.54 -0.48 0.00 0.00 -1.20 0.21 119.26 119.78 2g4a h ALA 69 Ca 0.37 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 2g4a h ALA 69 Cb 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2g4a h ALA 69 CO -0.26 0.19 -0.16 -0.44 0.00 0.00 0.00 179.25 178.58 2g4a h ASP 70 N 0.52 0.97 -0.10 0.00 5.19 -0.50 -1.94 116.42 120.55 2g4a h ASP 70 Ca 0.13 -0.38 -0.08 0.00 -0.62 0.00 0.00 57.03 56.09 2g4a h ASP 70 Cb 0.26 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2g4a h ASP 70 CO -0.00 1.12 -0.24 0.58 -3.12 0.00 0.00 179.24 177.58 2g4a h VAL 71 N 0.80 1.40 -0.97 -1.35 2.07 -0.47 -2.44 116.25 115.29 2g4a h VAL 71 Ca 0.12 -1.55 0.04 0.00 0.82 0.00 0.00 66.70 66.12 2g4a h VAL 71 Cb 0.72 2.15 -0.06 0.00 -1.52 0.00 0.00 31.29 32.59 2g4a h VAL 71 CO 0.06 0.45 0.63 -0.09 0.02 0.00 0.00 177.57 178.64 2g4a h ARG 72 N -0.11 1.18 -0.33 1.57 2.43 -0.60 -1.54 114.38 116.98 2g4a h ARG 72 Ca -0.00 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.04 2g4a h ARG 72 Cb 0.84 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 2g4a h ARG 72 CO 0.05 0.78 -0.00 1.25 -1.51 0.00 0.00 179.97 180.54 2g4a h LEU 73 N 1.22 0.57 -0.26 3.80 5.85 -1.36 -0.86 115.31 124.27 2g4a h LEU 73 Ca 0.39 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2g4a h LEU 73 Cb 0.01 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 2g4a h LEU 73 CO -0.12 0.75 0.17 -0.03 -0.34 0.00 0.00 178.44 178.87 2g4a h MET 74 N 0.39 0.35 -0.39 1.25 4.05 -0.96 0.62 114.93 120.23 2g4a h MET 74 Ca 0.09 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.45 2g4a h MET 74 Cb 0.45 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.16 2g4a h MET 74 CO 0.02 0.23 0.07 0.74 0.23 0.00 0.00 176.91 178.20 2g4a h PHE 75 N 0.36 0.69 -0.33 1.39 -1.00 -1.27 -2.74 116.94 114.03 2g4a h PHE 75 Ca 0.10 -0.09 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 2g4a h PHE 75 Cb -0.04 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.31 2g4a h PHE 75 CO -0.06 0.68 0.10 1.03 -1.61 0.00 0.00 178.31 178.45 2g4a h SER 76 N 0.50 0.42 -0.26 2.17 0.87 -0.92 -2.67 113.55 113.67 2g4a h SER 76 Ca 0.12 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2g4a h SER 76 Cb 0.35 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 2g4a h SER 76 CO 0.01 0.41 0.15 0.78 -0.53 0.00 0.00 176.83 177.65 2g4a h ASN 77 N 0.46 0.31 -0.82 6.23 2.35 -0.58 0.47 115.58 124.00 2g4a h ASN 77 Ca 0.11 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 2g4a h ASN 77 Cb 0.15 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 2g4a h ASN 77 CO -0.01 0.28 0.39 0.00 -1.65 0.00 0.00 177.43 176.45 2g4a h TYR 79 N 1.17 0.77 -0.13 0.00 3.20 -1.24 -2.55 116.97 118.20 2g4a h TYR 79 Ca 0.28 -0.35 -0.17 0.00 3.14 0.00 0.00 58.73 61.63 2g4a h TYR 79 Cb 0.12 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 2g4a h TYR 79 CO 0.01 1.15 -0.62 -0.22 -1.64 0.00 0.00 178.16 176.84 2g4a h LYS 80 N 0.17 0.45 0.31 1.82 1.63 0.05 -3.36 116.57 117.64 2g4a h LYS 80 Ca -0.05 -0.31 -0.02 0.00 -0.85 0.00 0.00 60.65 59.42 2g4a h LYS 80 Cb 1.24 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 2g4a h LYS 80 CO 0.12 0.93 -0.15 -0.92 -3.45 0.00 0.00 179.45 175.98 2g4a h TYR 81 N 0.33 -0.38 -3.51 1.91 3.20 -0.24 -3.43 116.97 114.84 2g4a h TYR 81 Ca -0.01 -0.01 -0.67 0.00 3.14 0.00 0.00 58.73 61.18 2g4a h TYR 81 Cb 1.17 0.13 -0.29 0.00 1.54 0.00 0.00 36.73 39.28 2g4a h TYR 81 CO 0.04 -0.24 -0.70 -0.80 -1.64 0.00 0.00 178.16 174.82 2g4a s ASN 82 N -3.84 4.58 0.99 -2.11 0.01 -0.96 -5.09 114.94 108.53 2g4a s ASN 82 Ca -0.06 -0.68 -0.12 0.00 -0.71 0.00 0.00 52.86 51.29 2g4a s ASN 82 Cb 0.01 -1.76 0.14 0.00 0.41 0.00 0.00 41.25 40.05 2g4a s ASN 82 CO 0.18 -0.12 0.80 -2.65 -1.51 0.00 0.00 177.10 173.80 2g4a n PRO 83 N 4.77 -0.89 -1.83 -0.60 -0.02 -1.26 -4.48 135.00 130.70 2g4a n PRO 83 Ca -0.16 -0.21 -0.43 0.00 -2.02 0.00 0.00 63.50 60.68 2g4a n PRO 83 Cb 0.48 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 2g4a n PRO 83 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2g4a s PRO 84 N -4.19 3.40 -0.16 0.52 0.04 -1.26 -4.69 135.00 128.66 2g4a s PRO 84 Ca 0.63 1.81 0.04 0.00 0.04 0.00 0.00 61.00 63.52 2g4a s PRO 84 Cb -0.22 -4.24 0.13 0.00 0.04 0.00 0.00 34.50 30.22 2g4a s PRO 84 CO 0.63 -1.78 0.90 -3.47 0.04 0.00 0.00 177.00 173.32 2g4a n ASP 85 N 10.29 -0.66 -3.81 6.66 2.03 -1.26 -5.11 116.55 124.69 2g4a n ASP 85 Ca 0.25 -1.49 0.03 0.00 0.52 0.00 0.00 54.79 54.10 2g4a n ASP 85 Cb 0.45 0.40 0.01 0.00 -0.72 0.00 0.00 41.12 41.26 2g4a n ASP 85 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2g4a s HIS 86 N 0.05 0.01 0.13 -0.67 2.46 -1.26 -5.04 115.29 110.97 2g4a s HIS 86 Ca 0.04 -0.11 -0.09 0.00 0.47 0.00 0.00 55.06 55.37 2g4a s HIS 86 Cb 0.14 0.55 -0.08 0.00 -0.13 0.00 0.00 32.58 33.06 2g4a s HIS 86 CO -0.04 -0.23 1.35 0.22 -2.47 0.00 0.00 174.74 173.57 2g4a h ASP 87 N 2.00 0.79 -0.59 9.88 3.58 -2.00 -3.01 116.42 127.07 2g4a h ASP 87 Ca -0.23 -0.52 0.07 0.00 0.42 0.00 0.00 57.03 56.77 2g4a h ASP 87 Cb 1.19 -0.23 -0.06 0.00 1.72 0.00 0.00 39.33 41.94 2g4a h ASP 87 CO 0.31 1.30 0.27 1.62 -2.88 0.00 0.00 179.24 179.85 2g4a h VAL 88 N 0.45 0.87 -0.11 2.25 3.04 -1.99 0.39 116.25 121.15 2g4a h VAL 88 Ca -0.05 -0.17 -0.02 0.00 -1.01 0.00 0.00 66.70 65.45 2g4a h VAL 88 Cb 1.38 0.34 -0.00 0.00 -2.01 0.00 0.00 31.29 31.00 2g4a h VAL 88 CO 0.15 0.09 -0.02 0.58 -1.01 0.00 0.00 177.57 177.36 2g4a h VAL 89 N 0.49 1.28 -0.70 1.51 2.07 -1.93 -2.85 116.25 116.12 2g4a h VAL 89 Ca 0.28 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 2g4a h VAL 89 Cb 0.26 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 2g4a h VAL 89 CO -0.23 0.26 0.39 0.00 0.02 0.00 0.00 177.57 178.01 2g4a h ALA 90 N 0.71 1.37 -0.64 1.67 0.00 -1.33 -2.11 119.26 118.93 2g4a h ALA 90 Ca 0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2g4a h ALA 90 Cb 0.41 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2g4a h ALA 90 CO 0.01 0.52 0.39 0.52 0.00 0.00 0.00 179.25 180.69 2g4a h MET 91 N 0.97 0.86 -0.41 0.00 2.86 -0.15 -2.19 114.93 116.88 2g4a h MET 91 Ca 0.25 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.77 2g4a h MET 91 Cb 0.01 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 2g4a h MET 91 CO -0.04 0.60 0.05 0.00 1.06 0.00 0.00 176.91 178.57 2g4a h ALA 92 N 1.55 0.54 -0.90 6.32 0.00 -1.15 -2.60 119.26 123.02 2g4a h ALA 92 Ca 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2g4a h ALA 92 Cb -0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 2g4a h ALA 92 CO -0.04 0.28 0.53 -0.09 0.00 0.00 0.00 179.25 179.93 2g4a h ARG 93 N 0.53 1.24 -0.74 0.00 2.43 -1.22 0.41 114.38 117.02 2g4a h ARG 93 Ca 0.12 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2g4a h ARG 93 Cb 0.41 -0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 2g4a h ARG 93 CO 0.01 0.88 0.47 0.87 -1.51 0.00 0.00 179.97 180.69 2g4a h LYS 94 N 1.25 0.99 0.03 0.20 1.57 -1.25 -2.41 116.57 116.96 2g4a h LYS 94 Ca 0.32 -0.08 -0.22 0.00 -1.87 0.00 0.00 60.65 58.81 2g4a h LYS 94 Cb -0.03 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 2g4a h LYS 94 CO -0.06 0.69 -0.99 1.25 -0.57 0.00 0.00 179.45 179.77 2g4a h LEU 95 N 1.01 0.20 -0.34 2.94 5.85 -1.06 -3.20 115.31 120.71 2g4a h LEU 95 Ca 0.27 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.83 2g4a h LEU 95 Cb -0.07 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 2g4a h LEU 95 CO -0.05 1.07 0.17 1.56 -0.34 0.00 0.00 178.44 180.84 2g4a h GLN 96 N 0.06 0.34 -0.62 1.25 4.20 0.14 0.58 115.11 121.06 2g4a h GLN 96 Ca -0.05 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 2g4a h GLN 96 Cb 1.68 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 29.36 2g4a h GLN 96 CO 0.15 0.22 0.15 -0.44 -0.67 0.00 0.00 178.83 178.24 2g4a h ASP 97 N 0.35 0.94 -0.28 1.46 3.32 -1.54 -1.70 116.42 118.97 2g4a h ASP 97 Ca 0.14 -0.23 -0.12 0.00 0.02 0.00 0.00 57.03 56.84 2g4a h ASP 97 Cb 0.06 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 2g4a h ASP 97 CO -0.10 0.93 -0.31 0.58 -1.72 0.00 0.00 179.24 178.61 2g4a h VAL 98 N 0.91 1.30 -0.30 -1.35 2.07 -1.47 -2.79 116.25 114.63 2g4a h VAL 98 Ca 0.19 -1.49 0.02 0.00 0.82 0.00 0.00 66.70 66.25 2g4a h VAL 98 Cb 0.35 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 2g4a h VAL 98 CO 0.00 0.47 0.15 0.15 0.02 0.00 0.00 177.57 178.37 2g4a h PHE 99 N 0.43 0.28 -0.94 1.57 3.57 0.27 -1.00 116.94 121.13 2g4a h PHE 99 Ca 0.04 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.59 2g4a h PHE 99 Cb 0.88 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.49 2g4a h PHE 99 CO 0.07 0.15 0.61 1.49 -2.23 0.00 0.00 178.31 178.41 2g4a h GLU 100 N 0.31 1.14 -0.55 1.11 4.81 -1.33 0.52 114.58 120.60 2g4a h GLU 100 Ca 0.12 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 2g4a h GLU 100 Cb 0.04 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 2g4a h GLU 100 CO -0.08 0.76 -0.03 0.74 -0.73 0.00 0.00 179.01 179.66 2g4a h PHE 101 N 1.18 1.05 0.09 0.92 -1.00 -1.11 -2.44 116.94 115.63 2g4a h PHE 101 Ca 0.37 -0.18 -0.26 0.00 2.81 0.00 0.00 57.97 60.71 2g4a h PHE 101 Cb 0.01 -0.27 0.01 0.00 3.61 0.00 0.00 35.95 39.31 2g4a h PHE 101 CO -0.00 0.96 -1.15 0.00 -1.61 0.00 0.00 178.31 176.50 2g4a h ARG 102 N 0.88 0.38 0.00 1.51 -0.00 -0.50 -3.18 114.38 113.47 2g4a h ARG 102 Ca 0.15 -0.53 0.00 0.00 -0.50 0.00 0.00 59.98 59.10 2g4a h ARG 102 Cb 0.56 0.18 0.00 0.00 0.00 0.00 0.00 29.97 30.71 2g4a h ARG 102 CO 0.03 1.21 0.00 -0.92 0.00 0.00 0.00 179.97 180.30 2g4a h TYR 103 N 0.16 0.00 0.00 3.04 5.03 0.12 -1.77 116.97 123.55 2g4a h TYR 103 Ca -0.13 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.18 2g4a h TYR 103 Cb 1.84 0.00 0.00 0.00 1.55 0.00 0.00 36.73 40.12 2g4a h TYR 103 CO 0.07 0.00 -0.49 0.00 -1.32 0.00 0.00 178.16 176.42 2g4a h ALA 104 N 2.06 0.75 0.00 1.82 0.00 -1.41 -3.34 119.26 119.14 2g4a h ALA 104 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 2g4a h ALA 104 Cb 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2g4a h ALA 104 CO 0.00 0.00 -1.71 1.17 0.00 0.00 0.00 179.25 178.71 2g4a n LYS 105 N -2.82 0.64 0.16 0.00 4.81 -0.70 -4.25 118.16 116.01 2g4a n LYS 105 Ca 0.02 0.20 0.03 0.00 -0.87 0.00 0.00 58.31 57.68 2g4a n LYS 105 Cb 0.53 -1.74 0.39 0.00 0.02 0.00 0.00 35.03 34.22 2g4a n LYS 105 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2g4a h MET 106 N 0.00 0.11 -7.14 1.64 -0.00 -1.59 -3.45 114.93 104.51 2g4a h MET 106 Ca -0.26 -0.03 -0.39 0.00 -0.00 0.00 0.00 59.70 59.01 2g4a h MET 106 Cb 1.83 -0.01 0.21 0.00 -0.00 0.00 0.00 31.60 33.62 2g4a h MET 106 CO 0.05 0.36 -0.04 -2.14 -0.00 0.00 0.00 176.91 175.14 2g4a s PRO 107 N -4.48 -2.40 0.00 -0.10 0.02 -1.26 -4.91 135.00 121.88 2g4a s PRO 107 Ca -0.04 0.11 0.00 0.00 0.02 0.00 0.00 61.00 61.09 2g4a s PRO 107 Cb 0.15 -1.44 0.00 0.00 0.02 0.00 0.00 34.50 33.23 2g4a s PRO 107 CO 0.73 -4.52 0.00 -3.47 -0.33 0.00 0.00 177.00 169.40